Cas no 100049-94-3 (3-Amino-3-cyclohexyl-propionic acid ethyl ester hydrochloride)
100049-94-3 structure
Product Name:3-Amino-3-cyclohexyl-propionic acid ethyl ester hydrochloride
CAS No:100049-94-3
MF:C11H22ClNO2
MW:235.75088262558
CID:2857413
Update Time:2023-08-10
3-Amino-3-cyclohexyl-propionic acid ethyl ester hydrochloride Chemical and Physical Properties
Names and Identifiers
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- 3-Amino-3-cyclohexyl-propionic acid ethyl ester hydrochloride
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- Inchi： 1S/C11H21NO2.ClH/c1-2-14-11(13)8-10(12)9-6-4-3-5-7-9;/h9-10H,2-8,12H2,1H3;1H
- InChI Key： VJSABQIJMRZXEH-UHFFFAOYSA-N
- SMILES： Cl.O(CC)C(CC(C1CCCCC1)N)=O
Computed Properties
- Exact Mass: 235.133907g/mol
- Monoisotopic Mass: 235.133907g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 5
- Complexity: 176
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Molecular Weight: 235.75g/mol
- Topological Polar Surface Area: 52.3
3-Amino-3-cyclohexyl-propionic acid ethyl ester hydrochloride Related Literature
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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